UCSF

ZINC13477894

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 33 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.96 13.73 -11.17 0 4 0 38 458.005 5
Ref Reference (pH 7) 6.96 13.61 -10.97 0 4 0 38 458.005 5
Mid Mid (pH 6-8) 6.96 16.04 -44.11 1 4 1 39 459.013 5
Mid Mid (pH 6-8) 6.96 15.92 -46.72 1 4 1 39 459.013 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )